N-butyl-1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine
TL;DR: N-butyl-1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine (CAS 296884-51-0) is a chemical compound with molecular formula C17H18N2O2S and molecular weight 314.1089 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-butyl-1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine
Also Known As: N-butyl-1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine, 3-(butylanilino)-1H-1,2-benzisothiazole-1,1-dione, 3-(butylphenylamino)benzo[d]1,2-thiazole-1,1-dione, N-butyl-N-phenyl-1,2-benzothiazol-3-amine 1,1-dioxide, N-butyl-N-phenyl-1,2-benzisothiazol-3-amine 1,1-dioxide
Technical Specifications
| Molecular Formula | C17H18N2O2S |
| Molecular Weight | 314.1089 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 58.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.1089 Da |
| Heavy Atoms | 22 |
| Complexity | 503.0 |
| SMILES | CCCCN(C1=CC=CC=C1)C2=NS(=O)(=O)C3=CC=CC=C32 |
| InChIKey | GLJDPPOTILHFND-UHFFFAOYSA-N |
Chemical Property Profile of N-butyl-1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine
Property Insights of N-butyl-1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine
The XLogP value of 3.5 indicates that N-butyl-1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.1 Ų, N-butyl-1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyl-1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-butyl-1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine?
The CAS number of N-butyl-1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine is 296884-51-0.
What is the molecular formula of N-butyl-1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine?
The molecular formula of N-butyl-1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine is C17H18N2O2S.
What is the molecular weight of N-butyl-1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine?
The molecular weight of N-butyl-1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine is 314.1089 g/mol.
Where can I buy N-butyl-1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine?
You can request a quote for N-butyl-1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-butyl-1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine?
Yes, CoreyChem provides custom synthesis services for N-butyl-1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.